UCSF

ZINC37213873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 7.04 -50.76 2 2 1 20 295.447 4
Mid Mid (pH 6-8) 2.21 8.08 -40.94 2 2 1 16 295.447 4
Lo Low (pH 4.5-6) 2.21 9.33 -130.12 3 2 2 21 296.455 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )